5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide

C21H20N4O — CID 86298947

IUPAC5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2NCc2ccc3[nH]ccc3c2)cc1C(N)=O
InChIInChI=1S/C21H20N4O/c1-13-17(21(22)26)11-20(25-13)16-4-2-3-5-19(16)24-12-14-6-7-18-15(10-14)8-9-23-18/h2-11,23-25H,12H2,1H3,(H2,22,26)
InChIKeyNOXAQHTYKCEEKX-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.18
Rot. Bonds5

About 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide

5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 86298947) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID86298947
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2NCc2ccc3[nH]ccc3c2)cc1C(N)=O
InChIInChI=1S/C21H20N4O/c1-13-17(21(22)26)11-20(25-13)16-4-2-3-5-19(16)24-12-14-6-7-18-15(10-14)8-9-23-18/h2-11,23-25H,12H2,1H3,(H2,22,26)
InChIKeyNOXAQHTYKCEEKX-UHFFFAOYSA-N
XLogP4.18
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[4-[[2-(4-carbamoyl-5-methyl-1H-pyrrol-2-yl)anilino]methyl]phenyl]carbamic acid
CID 135236028
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673
5-[2-(1H-indol-6-yloxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 90415225
2-(1H-indol-5-ylmethylamino)-3-methylbenzoic acid
CID 69328762
5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 90413427
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 102911718
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82388064
N-(1H-indol-5-ylmethyl)-2-methyl-5-nitroaniline
CID 102909693
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102909486

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 86298947) is 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2NCc2ccc3[nH]ccc3c2)cc1C(N)=O.
What is the InChIKey of 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is NOXAQHTYKCEEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-17(21(22)26)11-20(25-13)16-4-2-3-5-19(16)24-12-14-6-7-18-15(10-14)8-9-23-18/h2-11,23-25H,12H2,1H3,(H2,22,26).
What are the key properties of 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-5-ylmethylamino)phenyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 86298947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).